8-[3-[2,3-bis(oxidanyl)propoxy]phenyl]-1,3-dipropyl-7H-purine-2,6-dione

Systemtic Name: 8-[3-[2,3-bis(oxidanyl)propoxy]phenyl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[3-(2,3-dihydroxypropoxy)phenyl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[3-(2,3-dihydroxypropoxy)phenyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[3-(2,3-dihydroxypropoxy)phenyl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-(3-glyceryloxyphenyl)-1,3-dipropyl-7H-purine-2,6-quinone Formula: C20H26N4O5 MolecularWeight: 402.44424

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC(=CC=C3)OCC(CO)O

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC(=CC=C3)OCC(CO)O

InChI

InChI=1S/C20H26N4O5/c1-3-8-23-18-16(19(27)24(9-4-2)20(23)28)21-17(22-18)13-6-5-7-15(10-13)29-12-14(26)11-25/h5-7,10,14,25-26H,3-4,8-9,11-12H2,1-2H3,(H,21,22)